Chemical Properties of 14-Hydroxy-«alpha»-muurolene (CAS 135118-51-3)

InChI

InChI=1S/C15H24O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h4,8,10,13-16H,5-7,9H2,1-3H3

InChI Key

DFIKBBWSGFHYMP-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC1=CC2C(CC1)C(C)=CCC2C(C)CO

Molecular Weight¹

220.35

CAS

135118-51-3

Other Names

• «alpha»-Muurolene-14-ol
• «alpha»-Muurolene-14-hydroxy

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	42.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-317.20	kJ/mol	Joback Calculated Property
ΔfusH°	25.78	kJ/mol	Joback Calculated Property
ΔvapH°	67.39	kJ/mol	Joback Calculated Property
log10WS	-3.89		Crippen Calculated Property
logPoct/wat	3.554		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2086.93	kPa	Joback Calculated Property
Inp	[1756.00; 1788.00]
Inp	1775.00		NIST
Inp	Outlier 1756.00		NIST
Inp	1777.00		NIST
Inp	1775.00		NIST
Inp	1770.00		NIST
Inp	1782.20		NIST
Inp	1780.00		NIST
Inp	1770.00		NIST
Inp	1783.00		NIST
Inp	1775.00		NIST
Inp	1781.00		NIST
Inp	1775.00		NIST
Inp	1778.00		NIST
Inp	1776.00		NIST
Inp	1780.00		NIST
Inp	1782.00		NIST
Inp	Outlier 1757.00		NIST
Inp	1764.00		NIST
Inp	1788.00		NIST
Inp	1780.00		NIST
Inp	1772.00		NIST
Inp	1775.00		NIST
Inp	1780.00		NIST
Inp	1780.00		NIST
Inp	1775.00		NIST
Inp	1780.00		NIST
Inp	1775.00		NIST
Inp	Outlier 1757.00		NIST
Inp	1777.00		NIST
Inp	1782.20		NIST
I	[2567.00; 2599.00]
I	2599.00		NIST
I	2599.00		NIST
I	2567.00		NIST
I	2599.00		NIST
Tboil	668.51	K	Joback Calculated Property
Tc	869.60	K	Joback Calculated Property
Tfus	348.75	K	Joback Calculated Property
Vc	0.742	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[576.51; 672.04]	J/mol×K	[668.51; 869.60]
Cp,gas	576.51	J/mol×K	668.51	Joback Calculated Property
Cp,gas	594.95	J/mol×K	702.02	Joback Calculated Property
Cp,gas	612.33	J/mol×K	735.54	Joback Calculated Property
Cp,gas	628.69	J/mol×K	769.05	Joback Calculated Property
Cp,gas	644.06	J/mol×K	802.57	Joback Calculated Property
Cp,gas	658.50	J/mol×K	836.08	Joback Calculated Property
Cp,gas	672.04	J/mol×K	869.60	Joback Calculated Property
η	[0.0001089; 0.0048013]	Pa×s	[348.75; 668.51]
η	0.0048013	Pa×s	348.75	Joback Calculated Property
η	0.0016816	Pa×s	402.04	Joback Calculated Property
η	0.0007529	Pa×s	455.34	Joback Calculated Property
η	0.0003989	Pa×s	508.63	Joback Calculated Property
η	0.0002384	Pa×s	561.92	Joback Calculated Property
η	0.0001558	Pa×s	615.22	Joback Calculated Property
η	0.0001089	Pa×s	668.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 14-Hydroxy-«alpha»-muurolene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.